 | | COMPOUND: C07880 | |
| Entry |
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| Name |
Ursodiol;
Ursodeoxycholic acid;
Ursodeoxycholate;
3alpha,7beta-Dihydroxy-5beta-cholan-24-oic acid
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| Formula |
C24H40O4
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| Exact mass |
392.2927
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| Mol weight |
392.57
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| Structure |
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| Remark |
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| Pathway |
| map00121 | Secondary bile acid biosynthesis |
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| Brite |
Compounds with biological roles [BR:br08001]
Steroids
24-Carbon atoms
Cholane derivatives
C07880 Ursodiol
Lipids [BR:br08002]
ST Sterol lipids
ST04 Bile acids and derivatives
ST0401 C24 bile acids, alcohols, and derivatives
C07880 Ursodeoxycholic acid
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A05 BILE AND LIVER THERAPY
A05A BILE THERAPY
A05AA Bile acids and derivatives
A05AA02 Ursodeoxycholic acid
D00734 Ursodiol (USP) <JP/US>
USP drug classification [BR:br08302]
Gastrointestinal Agents
Gastrointestinal Agents, Other
Ursodiol
D00734 Ursodiol (USP)
Therapeutic category of drugs in Japan [BR:br08301]
2 Agents affecting individual organs
23 Digestive organ agents
236 Cholagogues
2362 Bile acids
D00734 Ursodiol (USP); Ursodeoxycholic acid (JP18/INN)
Classification of Japanese OTC drugs [BR:br08313]
Agents for digestive organs
11 Stomachics
D00734 Ursodiol (USP)
13 Digestives
D00734 Ursodiol (USP)
14 Two or more combinations from antacids, stomachics, digestives, and intestinal regulators
D00734 Ursodiol (USP)
Risk category of Japanese OTC drugs [BR:br08312]
Third-class OTC drugs
Inorganic and organic chemicals
Ursodeoxycholic acid
D00734 Ursodiol (USP)
Animal drugs in Japan [BR:br08331]
93 Agents affecting digestive organs
935 Cholagogues
9351 Bile acid, derivatives preparations
C07880 Ursodeoxycholic acid
Drug groups [BR:br08330]
Gastrointestinal agent
DG01956 Bile acid preparation
D00734 Ursodiol
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Thyroid hormone like receptors
Liver X receptor like receptor
NR1H4 (FXR)
D00734 Ursodiol (USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
D00734 Ursodeoxycholic acid
D00734 Ursodeoxycholic acid tablets
D00734 Ursodeoxycholic acid granules
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| Other DBs |
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| KCF data |
ATOM 28
1 C1x C 19.5368 -20.4392
2 C1y C 19.5368 -21.8128
3 C1x C 20.7264 -22.4996
4 C1y C 21.9161 -21.8128
5 C1z C 21.9161 -20.4392
6 C1x C 20.7264 -19.7523
7 C1x C 23.1056 -22.4996
8 C1y C 24.2952 -21.8128
9 C1y C 24.2952 -20.4392
10 C1y C 23.1056 -19.7523
11 C1y C 25.4848 -19.7523
12 C1z C 25.4848 -18.3787
13 C1x C 24.2952 -17.6919
14 C1x C 23.1056 -18.3787
15 C1x C 27.8640 -19.7523
16 C1x C 27.8640 -18.3787
17 C1y C 26.6744 -17.6919
18 C1a C 21.9161 -19.0655
19 O1a O 25.4702 -22.4913
20 C1a C 25.4848 -17.0051
21 C1c C 26.6744 -16.3183
22 O1a O 18.3473 -22.4996
23 C1a C 25.4888 -15.6337
24 C1b C 27.8680 -15.6292
25 C1b C 29.0429 -16.3077
26 C6a C 30.2069 -15.6357
27 O6a O 31.3763 -16.3110
28 O6a O 30.2071 -14.2580
BOND 31
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 5 18 1 #Up
22 8 19 1 #Up
23 12 20 1 #Up
24 17 21 1 #Up
25 2 22 1 #Down
26 21 23 1 #Down
27 21 24 1
28 24 25 1
29 25 26 1
30 26 27 1
31 26 28 2
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